Molecule

ID:69288

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
InChIKey
YYIQGSYCCNQAGV-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CCC(CC1)N)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0458179
LogD (pH = 7.4)
-1.4768238
Log P
0.97200584
Molar Refractivity
65.8773
Polarizability
25.9112
Polar Surface Area
55.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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